4-(decylamino)benzonitrile

C17H26N2 — CID 23349332

IUPAC4-(decylamino)benzonitrile
SMILESCCCCCCCCCCNc1ccc(C#N)cc1
InChIInChI=1S/C17H26N2/c1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17/h10-13,19H,2-9,14H2,1H3
InChIKeyKVUHYPIHOHDXQM-UHFFFAOYSA-N
MW258.41 g/mol
LogP5.11
Rot. Bonds10

About 4-(decylamino)benzonitrile

4-(decylamino)benzonitrile (PubChem CID 23349332) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-(decylamino)benzonitrile.

Molecular Properties

Compound Name4-(decylamino)benzonitrile
PubChem CID23349332
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-(decylamino)benzonitrile
SMILESCCCCCCCCCCNc1ccc(C#N)cc1
InChIInChI=1S/C17H26N2/c1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17/h10-13,19H,2-9,14H2,1H3
InChIKeyKVUHYPIHOHDXQM-UHFFFAOYSA-N
XLogP5.11
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile
CID 5051990
2-[4-(nonylamino)phenyl]acetonitrile
CID 63491741
4-[2-(propylamino)ethylamino]benzonitrile
CID 62664287
4-(3-cyanopropylamino)benzonitrile
CID 28582716
4-fluoro-N-heptylaniline
CID 43129312
4-methyl-N-octylaniline
CID 11816856
N-heptylaniline;hydrate
CID 174886464
N-nonadecylaniline
CID 54509054
4-(4-hydroxypentylamino)benzonitrile
CID 107269238
2-amino-4-(octylamino)benzonitrile
CID 115566143
3-[3-(4-cyanoanilino)propyl]-N-hexyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 22235523
N-decyl-4-(trifluoromethyl)aniline
CID 63488784

Frequently Asked Questions

What is the IUPAC name of 4-(decylamino)benzonitrile?
The IUPAC name of 4-(decylamino)benzonitrile (CID 23349332) is 4-(decylamino)benzonitrile.
What is the SMILES notation for 4-(decylamino)benzonitrile?
The canonical SMILES for 4-(decylamino)benzonitrile is CCCCCCCCCCNc1ccc(C#N)cc1.
What is the InChIKey of 4-(decylamino)benzonitrile?
The InChIKey is KVUHYPIHOHDXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17/h10-13,19H,2-9,14H2,1H3.
What are the key properties of 4-(decylamino)benzonitrile?
4-(decylamino)benzonitrile has a molecular weight of 258.41 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decylamino)benzonitrile is sourced from PubChem (CID 23349332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).